pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.57	Datawarrior	0	-1	CCCC[NH+](CC[S-])CCCC,CCCCN(CCS)CCCC	CCCCN(CC[S-])CCCC	mol12883	CCCCN(CCS)CCCC
7.76	Datawarrior	1	0	CCCC[NH+](CCS)CCCC	CCCC[NH+](CC[S-])CCCC,CCCCN(CCS)CCCC	mol12883	CCCCN(CCS)CCCC
7.7600002	OCHEM	1	0	CCCC[NH+](CCS)CCCC	CCCC[NH+](CC[S-])CCCC,CCCCN(CCS)CCCC	mol12883	CCCCN(CCS)CCCC
7.76000022888184	QSARToolbox	1	0	CCCC[NH+](CCS)CCCC	CCCC[NH+](CC[S-])CCCC,CCCCN(CCS)CCCC	mol12883	CCCCN(CCS)CCCC